Materials Data on Li3Zn by Materials Project

doi:10.17188/1655758

Title: Materials Data on Li3Zn by Materials Project

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Abstract

Li3Zn is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded to eight equivalent Li and four equivalent Zn atoms to form distorted LiLi8Zn4 cuboctahedra that share corners with four equivalent ZnLi12 cuboctahedra, corners with fourteen equivalent LiLi8Zn4 cuboctahedra, edges with six equivalent ZnLi12 cuboctahedra, edges with twelve equivalent LiLi8Zn4 cuboctahedra, faces with four equivalent ZnLi12 cuboctahedra, and faces with sixteen equivalent LiLi8Zn4 cuboctahedra. There are a spread of Li–Li bond distances ranging from 2.79–2.98 Å. There are two shorter (2.84 Å) and two longer (2.89 Å) Li–Zn bond lengths. Zn is bonded to twelve equivalent Li atoms to form ZnLi12 cuboctahedra that share corners with six equivalent ZnLi12 cuboctahedra, corners with twelve equivalent LiLi8Zn4 cuboctahedra, edges with eighteen equivalent LiLi8Zn4 cuboctahedra, faces with eight equivalent ZnLi12 cuboctahedra, and faces with twelve equivalent LiLi8Zn4 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1185291

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; Li3Zn; Li-Zn

OSTI Identifier:: 1655758

DOI:: https://doi.org/10.17188/1655758

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                    The Materials Project. Materials Data on Li3Zn by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1655758.

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                    The Materials Project. Materials Data on Li3Zn by Materials Project.  United States.  doi:https://doi.org/10.17188/1655758

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                    The Materials Project. 2020.  
"Materials Data on Li3Zn by Materials Project".  United States.  doi:https://doi.org/10.17188/1655758.  https://www.osti.gov/servlets/purl/1655758. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1655758,

  title        = {Materials Data on Li3Zn by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li3Zn is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded to eight equivalent Li and four equivalent Zn atoms to form distorted LiLi8Zn4 cuboctahedra that share corners with four equivalent ZnLi12 cuboctahedra, corners with fourteen equivalent LiLi8Zn4 cuboctahedra, edges with six equivalent ZnLi12 cuboctahedra, edges with twelve equivalent LiLi8Zn4 cuboctahedra, faces with four equivalent ZnLi12 cuboctahedra, and faces with sixteen equivalent LiLi8Zn4 cuboctahedra. There are a spread of Li–Li bond distances ranging from 2.79–2.98 Å. There are two shorter (2.84 Å) and two longer (2.89 Å) Li–Zn bond lengths. Zn is bonded to twelve equivalent Li atoms to form ZnLi12 cuboctahedra that share corners with six equivalent ZnLi12 cuboctahedra, corners with twelve equivalent LiLi8Zn4 cuboctahedra, edges with eighteen equivalent LiLi8Zn4 cuboctahedra, faces with eight equivalent ZnLi12 cuboctahedra, and faces with twelve equivalent LiLi8Zn4 cuboctahedra.},

  doi          = {10.17188/1655758},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1655758

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